2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine

C14H21F2NO — CID 82004553

IUPAC2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)OCC(F)F
InChIInChI=1S/C14H21F2NO/c1-3-9-17-14(11(2)18-10-13(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeyUMYOVCRUTQCOFN-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.40
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine

2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine (PubChem CID 82004553) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
PubChem CID82004553
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)OCC(F)F
InChIInChI=1S/C14H21F2NO/c1-3-9-17-14(11(2)18-10-13(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3
InChIKeyUMYOVCRUTQCOFN-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
2-(1-ethoxypropan-2-yloxy)-1-phenyl-N-propylbutan-1-amine
CID 103487449
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 106200667
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine (CID 82004553) is 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is UMYOVCRUTQCOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-9-17-14(11(2)18-10-13(15)16)12-7-5-4-6-8-12/h4-8,11,13-14,17H,3,9-10H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine?
2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 82004553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).